SCHEMBL30853015

SCHEMBL30853015

C[C@@H](CS(=O)(=O)O)C(F)F

nearest known ligand 0.37

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
SLC22A6 Q4U2R8 1/20 0.37
GRIA1 P42261 3/20 0.36
TP53 P04637 1/20 0.32

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL29189649 1.00 SLC22A6 (0.37) SLC22A6GRIA1TP53
SCHEMBL3421787 0.83 SLC22A6 (0.43) SLC22A6GRIA1TP53
SCHEMBL776560 0.78
SCHEMBL6722136 0.78 SLC22A6 (0.40) SLC22A6GRIA1TP53
SCHEMBL27855486 0.78 GRIA1 (0.33) GRIA1
SCHEMBL27881836 0.76 SLC22A6 (0.39) SLC22A6GRIA1
SCHEMBL27881825 0.76
SCHEMBL18631405 0.74 GRIA1 (0.31) GRIA1
SCHEMBL11151795 0.74 SLC22A6 (0.37) SLC22A6GRIA1TP53
SCHEMBL575440 0.74 SLC22A6 (0.37) SLC22A6GRIA1

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-117881681-A Substituted pyrrolo [2,3-d ] pyrimidines, their preparation and their therapeutic use 赛诺菲 2024-04-12 CN disclosed